Crystallography Open Database

Information card for entry 7115060

Preview

Coordinates	7115060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H65 Cl2 Fe Mg0.5 N2 O3
Calculated formula	C41 H65 Cl2 Fe Mg0.5 N2 O3
Title of publication	Tuning metal coordination number by ancillary ligand steric effects: synthesis of a three-coordinate iron(ii) complex
Authors of publication	Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	17
Pages of publication	1542
a	12.6469 ± 0.0008 Å
b	13.0103 ± 0.0008 Å
c	26.4143 ± 0.0017 Å
α	90°
β	102.853 ± 0.001°
γ	90°
Cell volume	4237.3 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
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	0.0769
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7115060.cif
118509	2014-06-30	cif/ Adding structures of 7115057, 7115058, 7115059, 7115060, 7115061 via cif-deposit CGI script.	7115060.cif