Crystallography Open Database

Information card for entry 4334574

Preview

Coordinates	4334574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H40 Cu2 N16 O2 Pt2 S8
Calculated formula	C50 H40 Cu2 N16 O2 Pt2 S8
Title of publication	Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks
Authors of publication	Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4842 - 4852
a	16.597 ± 0.003 Å
b	11.502 ± 0.002 Å
c	16.941 ± 0.003 Å
α	90°
β	116.685 ± 0.002°
γ	90°
Cell volume	2889.6 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for all reflections	0.0748
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.1927
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179448 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/45.	4334574.cif
100442	2014-02-06	cif/ Adding structures of 4334574 via cif-deposit CGI script.	4334574.cif