Crystallography Open Database

Information card for entry 4334716

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Coordinates	4334716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 N6 Ni O18 Pt S2
Calculated formula	C32 H38 N6 Ni O18 Pt S2
SMILES	[Pt]12([n]3c(c4[n]2cccc4)cccc3)[S]2[Ni]34([n]5c(c6[n]3cccc6)cccc5)([S]1[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1[OH]4)CO)[OH][C@H]1[C@H]2O[C@@H]([C@@H](O)[C@@H]1O)CO.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
Title of publication	Synthesis and Coordination Behavior of a Bipyridine Platinum(II) Complex with Thioglucose
Authors of publication	Takaaki Tsuji; Naoto Kuwamura; Nobuto Yoshinari; Takumi Konno
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5350 - 5358
a	6.1819 ± 0.0006 Å
b	21.5755 ± 0.0019 Å
c	29.5 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3934.6 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
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	0.041
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179450 (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 4/33/47.	4334716.cif
100588	2014-02-06	cif/ Adding structures of 4334716 via cif-deposit CGI script.	4334716.cif