Crystallography Open Database

Information card for entry 4070917

Preview

Coordinates	4070917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H80 Ca N4 O P
Calculated formula	C55 H80 Ca N4 O P
Title of publication	Heavier Group 2 Element Catalyzed Hydrophosphination of Carbodiimides
Authors of publication	Crimmin, Mark R.; Barrett, Anthony G. M.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	497
a	13.2577 ± 0.0002 Å
b	14.4217 ± 0.0003 Å
c	28.4727 ± 0.0004 Å
α	90°
β	103.202 ± 0.001°
γ	90°
Cell volume	5300.06 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation probe	x-ray
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
178598 (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 4/07/09.	4070917.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070917.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070917.cif
42843	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070917 via cif-deposit CGI script.	4070917.cif