Crystallography Open Database

Information card for entry 4064127

Preview

Coordinates	4064127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H20 Cr O5 P4
Calculated formula	C29 H20 Cr O5 P4
SMILES	[Cr]([P]1(P(P(P1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Oligomerization of Terminal Phosphinidene Complexes
Authors of publication	Tran Huy, Ngoc Hoa; Lu, Yunpeng; Mathey, François
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1734
a	10.2754 ± 0.0004 Å
b	22.3544 ± 0.0007 Å
c	14.0485 ± 0.0004 Å
α	90°
β	118.565 ± 0.002°
γ	90°
Cell volume	2834.15 ± 0.17 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
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	0.0469
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178535 (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 4/06/41.	4064127.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064127.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064127.cif
32791	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064127 via cif-deposit CGI script.	4064127.cif