Crystallography Open Database

Information card for entry 1519262

1519261 << 1519262 >> 1519263

Preview

Coordinates	1519262.cif

Structure parameters

Formula	C33 H30 Cl N O3 P2 Pt
Calculated formula	C33 H30 Cl N O3 P2 Pt
SMILES	[Pt]1(Cl)([P](Nc2c1ccc(C(=O)OC)c2)(c1ccccc1)c1ccccc1)[P](OC)(c1ccccc1)c1ccccc1
Title of publication	C33H30ClNO3P2Pt
Authors of publication	Smith, Martin B.; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2000
Pages of publication	1013
a	10.647 ± 0.002 Å
b	17.517 ± 0.004 Å
c	16.715 ± 0.003 Å
α	90°
β	105.06 ± 0.03°
γ	90°
Cell volume	3010.3 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0423
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	0.871
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519262.cif
135604	2015-05-06	cif/ Adding structures of 1519262 via cif-deposit CGI script.	1519262.cif