Crystallography Open Database

Information card for entry 4111972

4111971 << 4111972 >> 4111973

Preview

Coordinates	4111972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15.5 H28 Cl3 O3 P Ru
Calculated formula	C15.5 H28 Cl3 O3 P Ru
SMILES	[Ru]12345(Cl)(Cl)([P](OC)(OC)OC)[c]6([c]1([c]2([c]3([c]4([c]56C)C)C)C)C)C.ClCCl
Title of publication	Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center
Authors of publication	Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	14366 - 14374
a	15.536 ± 0.002 Å
b	9.107 ± 0.0008 Å
c	28.617 ± 0.003 Å
α	90°
β	95.15 ± 0.004°
γ	90°
Cell volume	4032.6 ± 0.8 Å³
Cell temperature	173.2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111972.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111972.cif
63589	2012-08-05	cif/ Adding structures of 4111972 via cif-deposit CGI script.	4111972.cif