Crystallography Open Database

Information card for entry 4069357

Preview

Coordinates	4069357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H12 Br N3 O7 Pt
Calculated formula	C11 H12 Br N3 O7 Pt
SMILES	[Pt]1(c2c(N(=[O]1)=O)c(OC)c(OC)c(OC)c2N(=O)=O)(Br)[N]#CC
Title of publication	Mono(2,6-dinitroaryl)platinum(II) and Mono- and Bis(2,6-dinitroaryl)platinum(IV) Complexes
Authors of publication	Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.; Bautista, Delia
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	12
Pages of publication	3501
a	7.8089 ± 0.0011 Å
b	12.0507 ± 0.0014 Å
c	16.434 ± 0.002 Å
α	90°
β	97.118 ± 0.01°
γ	90°
Cell volume	1534.6 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
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	0.0523
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.184
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
178582 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/93.	4069357.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069357.cif
40263	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069353, 4069354, 4069355, 4069356, 4069357, 4069358, 4069359, 4069360, 4069361, 4069362, 4069363, 4069364, 4069365, 4069366, 4069367, 4069368 via cif-deposit CGI script.	4069357.cif