Crystallography Open Database

Information card for entry 4314409

Preview

Coordinates	4314409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Br2 P2 Pt
Calculated formula	C36 H30 Br2 P2 Pt
Title of publication	Cooperation between Cis and Trans Influences in cis-PtII(PPh3)2 Complexes: Structural, Spectroscopic, and Computational Studies
Authors of publication	Luca Rigamonti; Alessandra Forni; Mario Manassero; Carlo Manassero; Alessandro Pasini
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	123 - 135
a	32.629 ± 0.0021 Å
b	9.6539 ± 0.0006 Å
c	19.8452 ± 0.0013 Å
α	90°
β	93.81 ± 0.001°
γ	90°
Cell volume	6237.4 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.069
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.116
Goodness-of-fit parameter for all reflections	1.002
Goodness-of-fit parameter for significantly intense reflections	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179218 (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 4/31/44.	4314409.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314409.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314409.cif
7517	2011-02-02	../uploads/cif-deposit/cod/cif Adding structures of 4314409 via cif-deposit CGI script.	4314409.cif