Crystallography Open Database

Information card for entry 4341285

Preview

Coordinates	4341285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H72 Cl11.98 N24 Ru2 W4
Calculated formula	C84 H72 Cl11.9804 N24 Ru2 W4
Title of publication	Heterometallic Multiple Bonding: Delocalized Three-Center σ and π Bonding in Chains of 4d and 5d Transition Metals.
Authors of publication	Brogden, David W.; Berry, John F.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	21
Pages of publication	11354 - 11356
a	19.7217 ± 0.0005 Å
b	29.7782 ± 0.0008 Å
c	16.7192 ± 0.0004 Å
α	90°
β	114.573 ± 0.0012°
γ	90°
Cell volume	8929.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation probe	x-ray
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
179515 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12.	4341285.cif
126969	2014-11-12	cif/ Updating files of 4341284, 4341285 Original log message: Adding full bibliography for 4341284--4341285.cif.	4341285.cif
125292	2014-10-12	cif/ Adding structures of 4341285 via cif-deposit CGI script.	4341285.cif