Crystallography Open Database

Information card for entry 7017343

Preview

Coordinates	7017343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H39 Br Cl2 N3 P
Calculated formula	C32 H39 Br Cl2 N3 P
Title of publication	Substitution matters: isolating phosphorus diiminopyridine complexes.
Authors of publication	Martin, Caleb D.; Ragogna, Paul J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	44
Pages of publication	11976 - 11980
a	17.049 ± 0.003 Å
b	13.12 ± 0.003 Å
c	17.259 ± 0.004 Å
α	90°
β	119.39 ± 0.03°
γ	90°
Cell volume	3363.7 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0944
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.2018
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179877 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/73.	7017343.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017343.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017343.cif
31313	2011-12-13	../uploads/cif-deposit/cod/cif Adding structures of 7017341, 7017342, 7017343, 7017344 via cif-deposit CGI script.	7017343.cif