Crystallography Open Database

Information card for entry 1519785

1519784 << 1519785 >> 1519786

Preview

Coordinates	1519785.cif

Structure parameters

Formula	C56 H60 Cl2 N8 Ni Pt2
Calculated formula	C56 H60 Cl2 N8 Ni Pt2
SMILES	c1c(ccc[n]1[Ni]1(Cl)(Cl)([n]2cc(ccc2)c2cc3c(cc2)[Pt]2([N](C3)(C)C)c3c(cc(c4cnccc4)cc3)C[N]2(C)C)[n]2cc(ccc2)c2cc3c([Pt]4(c5c(cc(c6c[n](ccc6)[Ni](Cl)(Cl)[n]6cc(ccc6)c6cc7c(cc6)[Pt]6([N](C7)(C)C)c7c(cc(c8c[n]1ccc8)cc7)C[N]6(C)C)cc5)C[N]4(C)C)[N](C3)(C)C)cc2)c1cc2c(cc1)[Pt]1([N](C2)(C)C)c2c(cc(c3cnccc3)cc2)C[N]1(C)C
Title of publication	C56H60Cl2N8Ni1Pt2
Authors of publication	Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2006
Pages of publication	241
a	10.2973 ± 0.0008 Å
b	29.825 ± 0.005 Å
c	9.3067 ± 0.0011 Å
α	90°
β	90.417 ± 0.01°
γ	90°
Cell volume	2858.2 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519785.cif
137053	2015-05-20	cif/ Adding structures of 1519785 via cif-deposit CGI script.	1519785.cif