Crystallography Open Database

Information card for entry 7027271

Preview

Coordinates	7027271.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,5,9-triphenyl-1,5,9-triphosphacyclododecane molybdenum tricarbonyl complex
Formula	C30 H33 Mo O3 P3
Calculated formula	C30 H33 Mo O3 P3
Title of publication	The template synthesis of triaryl functionalised 1,5,9-triphosphacyclododecane on molybdenum using organocopper reagents †
Authors of publication	Jones, David J.; Edwards, Peter G.; Tooze, Robert P.; Albers, Thomas
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	7
Pages of publication	1045
a	9.399 ± 0.004 Å
b	17.59 ± 0.03 Å
c	34.22 ± 0.02 Å
α	90°
β	90.15 ± 0.03°
γ	90°
Cell volume	5658 ± 10 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0833
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	0.805
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
179978 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/72.	7027271.cif
95217	2014-01-28	cif/ Adding structures of 7027271 via cif-deposit CGI script.	7027271.cif