Crystallography Open Database

Information card for entry 4075113

Preview

Coordinates	4075113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H70 B9 Mo N5
Calculated formula	C37 H70 B9 Mo N5
Title of publication	Oxidation of the Bis-molybdenum(0) Trianion [1,3,6-{Mo(CO)3}-3,6-(μ-H)2-1,1,1-(CO)3-2-Ph-closo-1,2-MoCB9H7]3-: Metal and Boron Vertex Substitution and Cluster Expansion§
Authors of publication	Lei, Peng; McGrath, Thomas D.; Stone, F. Gordon A.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	8
Pages of publication	2011
a	14.867 ± 0.003 Å
b	17.634 ± 0.003 Å
c	17.202 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4509.8 ± 1.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178640 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/51.	4075113.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075113.cif
49079	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075112, 4075113, 4075114, 4075115 via cif-deposit CGI script.	4075113.cif