Crystallography Open Database

Information card for entry 4319976

4319975 << 4319976 >> 4319977

Preview

Coordinates	4319976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H67 Cl2 Fe N6 P2 S2
Calculated formula	C38 H67 Cl2 Fe N6 P2 S2
SMILES	[Fe](Cl)(Cl)([N](=NN=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)CSc1ccccc1)[N](=NN=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)CSc1ccccc1
Title of publication	Contrasting Formation of a (Phenylthio)phosphinimine and (Phenylthio)phosphazide. Synthesis of Metal Complexes
Authors of publication	Luc LePichon; Douglas W. Stephan
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3827 - 3829
a	13.917 ± 0.005 Å
b	21.409 ± 0.007 Å
c	15.513 ± 0.005 Å
α	90°
β	93.821 ± 0.008°
γ	90°
Cell volume	4612 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0672
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	0.564
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
179279 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/99.	4319976.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319976.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319976.cif
16781	2011-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4319976 via cif-deposit CGI script.	4319976.cif