Crystallography Open Database

Information card for entry 4319959

4319958 << 4319959 >> 4319960

Preview

Coordinates	4319959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H92 F10 P4 Pt2
Calculated formula	C111 H84 F10 P4 Pt2
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	20.389 ± 0.004 Å
b	12.114 ± 0.002 Å
c	21.103 ± 0.004 Å
α	90°
β	108.32 ± 0.03°
γ	90°
Cell volume	4948.1 ± 1.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	4319959.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319959.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319959.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' ) &	4319959.cif
16764	2011-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4319959 via cif-deposit CGI script.	4319959.cif