Crystallography Open Database

Information card for entry 7003294

Preview

Coordinates	7003294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H75 B12 Cl3 N2 P2 Ru
Calculated formula	C50 H75 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	10.1464 ± 0.0006 Å
b	16.2652 ± 0.0011 Å
c	17.3577 ± 0.0011 Å
α	79.964 ± 0.005°
β	85.277 ± 0.005°
γ	85.271 ± 0.005°
Cell volume	2804.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	7003294.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003294.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003294.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.	7003294.cif