Crystallography Open Database

Information card for entry 4075058

Preview

Coordinates	4075058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H54 Al2 N4 P2
Calculated formula	C32 H54 Al2 N4 P2
SMILES	P(CCP(c1ccccc1)C1=[N](C(C)C)[Al](N1C(C)C)(C)C)(c1ccccc1)C1=[N](C(C)C)[Al](N1C(C)C)(C)C
Title of publication	Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study
Authors of publication	Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2470
a	13.0307 ± 0.0004 Å
b	13.0404 ± 0.0004 Å
c	45.5588 ± 0.0015 Å
α	83.446 ± 0.001°
β	82.619 ± 0.002°
γ	85.102 ± 0.002°
Cell volume	7607.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1375
Residual factor for significantly intense reflections	0.096
Weighted residual factors for significantly intense reflections	0.2187
Weighted residual factors for all reflections included in the refinement	0.2375
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
178639 (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 4/07/50.	4075058.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075058.cif
49039	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075055, 4075056, 4075057, 4075058, 4075059, 4075060 via cif-deposit CGI script.	4075058.cif