Crystallography Open Database

Information card for entry 7006534

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Coordinates	7006534.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Nitrosyl-penta(trimethylphosphine)molybdenum tetrakis[bis(3,5-trifluoromethyl)phenyl]borane
Formula	C47 H57 B F24 Mo N O P5
Calculated formula	C47 H57 B F24 Mo N O P5
Title of publication	Hydride transfer reactivity of tetrakis(trimethylphosphine)(hydrido)(nitrosyl)molybdenum(0).
Authors of publication	Zhao, Yin; Schmalle, Helmut W.; Fox, Thomas; Blacque, Olivier; Berke, Heinz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	1
Pages of publication	73 - 85
a	13.1223 ± 0.0018 Å
b	13.2643 ± 0.0012 Å
c	18.473 ± 0.002 Å
α	90°
β	108.728 ± 0.015°
γ	90°
Cell volume	3045.1 ± 0.7 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	8
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.1017
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1474
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	0.869
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
179769 (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 7/00/65.	7006534.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006534.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006534.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006534.cif