Crystallography Open Database

Information card for entry 4319960

4319959 << 4319960 >> 4319961

Preview

Coordinates	4319960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C172 H144 F10 P4 Pt2
Calculated formula	C172 H144 F10 P4 Pt2
SMILES	C(#CC#CC#CC#CC#CC#CC#CC#C[Pt]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)c1c(c(c(c(c1F)F)F)F)F)[Pt]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)c1c(c(F)c(c(c1F)F)F)F.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Bent and Stretched but Not Yet to the Breaking Point: C8-C16 sp Carbon Chains That Span Two Platinum Atoms and the First Structurally Characterized 1,3,5,7,9,11,13,15-Octayne
Authors of publication	Wolfgang Mohr; Jürgen Stahl; Frank Hampel; J. A. Gladysz
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3263 - 3264
a	15.5846 ± 0.0001 Å
b	16.686 ± 0.0002 Å
c	17.1428 ± 0.0002 Å
α	100.741 ± 0.001°
β	100.762 ± 0.001°
γ	117.576 ± 0.001°
Cell volume	3686.54 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179279 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/99.	4319960.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319960.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319960.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4319960.cif
16765	2011-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4319960 via cif-deposit CGI script.	4319960.cif