Crystallography Open Database

Information card for entry 1556357

Preview

Coordinates	1556357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H114 O2 P8 Pt2
Calculated formula	C87 H114 O2 P8 Pt2
SMILES	[P]123CC(=C(C[P]2([Pt]2([P]45[P]([Pt]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P]16CC(=C(C)C[P]26CC(=C(C)C1)C)C)(CC(=C(C)C5)C)CC(=C(C)C4)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)CC(=C(C)C3)C)C)C.C1COCC1.O1CCCC1.c1(ccccc1)C
Title of publication	Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals
Authors of publication	Tofan, Daniel; Cummins, Christopher C.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	8
Pages of publication	2474
a	20.4091 ± 0.0011 Å
b	16.3489 ± 0.0009 Å
c	26.2219 ± 0.0018 Å
α	90°
β	111.97 ± 0.001°
γ	90°
Cell volume	8114 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0571
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244377 (current)	2019-11-28	cif/ Adding structures of 1556356, 1556357, 1556358, 1556359, 1556360 via cif-deposit CGI script.	1556357.cif