Crystallography Open Database

Information card for entry 4316515

Preview

Coordinates	4316515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H40 N2 P2 Pt2
Calculated formula	C37 H40 N2 P2 Pt2
SMILES	[Pt]1([P](C[P]([Pt]([n]2[n]1cc1c(c2)cccc1)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C)C
Title of publication	Associative and Dissociative Mechanisms in the Formation of Phthalazine Bridged Organodiplatinum(II) Complexes
Authors of publication	Mehdi Rashidi; S. Masoud Nabavizadeh; Ahad Zare; Sirous Jamali; Richard J. Puddephatt
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	8435 - 8443
a	11.2916 ± 0.0005 Å
b	16.2609 ± 0.0008 Å
c	18.6217 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3419.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0365
Weighted residual factors for all reflections included in the refinement	0.0378
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
179245 (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 4/31/65.	4316515.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316515.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316515.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' ) &	4316515.cif
9718	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316515 via cif-deposit CGI script.	4316515.cif