Crystallography Open Database

Information card for entry 4334445

Preview

Coordinates	4334445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H58 Cd Cl2 N4 O9 Pt2 S4
Calculated formula	C48 H56 Cd Cl2 N4 O9 Pt2 S4
SMILES	[Pt]123([Cd]4([Pt]56([S]4c4ccccc4S5)[n]4ccc(cc4c4[n]6ccc(c4)C(C)(C)C)C(C)(C)C)([S]2c2c(S1)cccc2)([OH2])OCl(=O)(=O)=O)[n]1ccc(cc1c1[n]3ccc(c1)C(C)(C)C)C(C)(C)C.Cl(=O)(=O)(=O)[O-]
Title of publication	Integration of Alkyl-Substituted Bipyridyl Benzenedithiolato Platinum(II) Complexes with Cadmium(II) Ion via Selective Dative Bond Formation
Authors of publication	Hirotaka Honda; Takeshi Matsumoto; Misaki Sakamoto; Atsushi Kobayashi; Ho-Chol Chang; Masako Kato
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4324 - 4334
a	12.7905 ± 0.0015 Å
b	14.9908 ± 0.0019 Å
c	15.3746 ± 0.0018 Å
α	104.643 ± 0.0016°
β	91.693 ± 0.0013°
γ	107.757 ± 0.0013°
Cell volume	2698 ± 0.6 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
179447 (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 4/33/44.	4334445.cif
100272	2014-02-04	cif/ Adding structures of 4334445 via cif-deposit CGI script.	4334445.cif