Crystallography Open Database

Information card for entry 4303131

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Structure parameters

Formula	C15 H33 F6 N7 O7 Pt S2
Calculated formula	C15 H33 F6 N7 O7 Pt S2
SMILES	[Pt]12([NH]=C(NC(=[NH]2)N2CCCCC2)N)[N](C)(C)CC[N]1(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O
Title of publication	Different Routes for Amination of Platinum(II)-Bound Cyanoguanidine
Authors of publication	Alexander G. Tskhovrebov; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8678 - 8688
a	16.1325 ± 0.0003 Å
b	9.0097 ± 0.0001 Å
c	18.5102 ± 0.0004 Å
α	90°
β	90.23 ± 0.001°
γ	90°
Cell volume	2690.42 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0293
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4303131.cif
179069	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/31.	4303131.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303131.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303131.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303131.cif