Crystallography Open Database

Information card for entry 7003295

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Coordinates	7003295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H79 B12 Cl3 N2 P2 Ru
Calculated formula	C45 H79 B12 Cl3 N2 P2 Ru
Title of publication	Amino-closo-dodecaborate—a new ligand in coordination chemistry
Authors of publication	Kirchmann, Marius; Wesemann, Lars
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	4
Pages of publication	444 - 446
a	44.843 ± 0.003 Å
b	10.735 ± 0.0006 Å
c	22.8933 ± 0.0013 Å
α	90°
β	90.678 ± 0.005°
γ	90°
Cell volume	11019.8 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
179736 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/32.	7003295.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003295.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003295.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003295.cif