Crystallography Open Database

Information card for entry 7039552

Preview

Coordinates	7039552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 Cl4 N3 Pt
Calculated formula	C16 H17 Cl4 N3 Pt
SMILES	C1(N(C=CN1Cc1ccccc1)C)=[Pt]([n]1ccccc1)(Cl)(Cl)(Cl)Cl
Title of publication	Platinum(iv) N-heterocyclic carbene complexes: their synthesis, characterisation and cytotoxic activity.
Authors of publication	Bouché, M; Dahm, G.; Wantz, M.; Fournel, S.; Achard, T.; Bellemin-Laponnaz, S
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	28
Pages of publication	11362 - 11368
a	28.198 ± 0.002 Å
b	8.858 ± 0.0006 Å
c	16.957 ± 0.0014 Å
α	90°
β	117.956 ± 0.003°
γ	90°
Cell volume	3741.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1503
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1802
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
185503 (current)	2016-08-07	cif/ Updating files of 7039552 Original log message: Adding full bibliography for 7039552.cif.	7039552.cif
183520	2016-06-16	cif/ Adding structures of 7039552 via cif-deposit CGI script.	7039552.cif