Crystallography Open Database

Information card for entry 4111976

4111975 << 4111976 >> 4111977

Preview

Coordinates	4111976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H34 Cu2 I2 Mo N O5 P Ru S3
Calculated formula	C18 H34 Cu2 I2 Mo N O5 P Ru S3
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	37.63 ± 0.02 Å
b	9.293 ± 0.004 Å
c	19.393 ± 0.009 Å
α	90°
β	110.535 ± 0.005°
γ	90°
Cell volume	6351 ± 5 Å³
Cell temperature	173.2 K
Number of distinct elements	10
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	0.0534
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	0.74
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.	4111976.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111976.cif
63593	2012-08-05	cif/ Adding structures of 4111976 via cif-deposit CGI script.	4111976.cif