Crystallography Open Database

Information card for entry 4066890

Preview

Coordinates	4066890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H172 Cs3 N4 O7 P5
Calculated formula	C103 H164 Cs3 N4 O7 P5
Title of publication	Fragmentation of an N-Substituted One-Coordinate Phosphorus (Phosphaalkyne): Plausible Generation of Monovalent Phosphorus Species†
Authors of publication	Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Howe, Laurie A.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	18
Pages of publication	4154
a	60.21 ± 0.008 Å
b	10.9354 ± 0.0016 Å
c	35.649 ± 0.004 Å
α	90°
β	107.523 ± 0.003°
γ	90°
Cell volume	22383 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.121
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.1928
Goodness-of-fit parameter for all reflections included in the refinement	1.229
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
178560 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/68.	4066890.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066890.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066890.cif
34014	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066889, 4066890, 4066891, 4066892 via cif-deposit CGI script.	4066890.cif