Crystallography Open Database

Information card for entry 7023983

Preview

Coordinates	7023983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 Mn N O3 P
Calculated formula	C27 H29 Mn N O3 P
Title of publication	Phosphine-substituted sterically encumbered pyrrolyl ligands - synthesis and reactivity studies.
Authors of publication	Kreye, Markus; Runyon, Jason W.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	48
Pages of publication	16846 - 16856
a	12.2638 ± 0.0005 Å
b	11.1697 ± 0.0004 Å
c	19.4812 ± 0.0007 Å
α	90°
β	103.593 ± 0.004°
γ	90°
Cell volume	2593.84 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.059
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179944 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/39.	7023983.cif
91609	2013-12-13	cif/ Adding structures of 7023977, 7023978, 7023979, 7023980, 7023981, 7023982, 7023983 via cif-deposit CGI script.	7023983.cif