Crystallography Open Database

Information card for entry 4332231

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Structure parameters

Formula	C21 H27 F6 N3 O10 S2 Zn
Calculated formula	C21 H27 F6 N3 O10 S2 Zn
Title of publication	Diastereopure Fe(II) and Zn(II) Complexes Derived from a TridentateN,N‘,N-Bis(methyl-l-prolinate)-Substituted Pyridine Ligand
Authors of publication	Gosiewska, Silvia; Cornelissen, Jeroen J. L. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	10
Pages of publication	4214 - 4227
a	9.7266 ± 0.0004 Å
b	11.7644 ± 0.0005 Å
c	12.5504 ± 0.0006 Å
α	90°
β	92.7912 ± 0.0017°
γ	90°
Cell volume	1434.41 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4332231.cif
179425	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/22.	4332231.cif
98172	2014-01-29	cif/ Adding structures of 4332227, 4332228, 4332229, 4332230, 4332231 via cif-deposit CGI script.	4332231.cif