Crystallography Open Database

Information card for entry 1542956

Preview

Coordinates	1542956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H45 Cl Fe N2 O2.5
Calculated formula	C30.5 H45 Cl Fe N2 O2.5
Title of publication	Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes
Authors of publication	Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M.
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	14
Pages of publication	5364
a	27.898 ± 0.009 Å
b	9.683 ± 0.003 Å
c	23.472 ± 0.008 Å
α	90°
β	110.032 ± 0.004°
γ	90°
Cell volume	5957 ± 3 Å³
Cell temperature	168 K
Ambient diffraction temperature	168 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185094 (current)	2016-08-07	cif/ Updating files of 1542955, 1542956 Original log message: Adding full bibliography for 1542955--1542956.cif.	1542956.cif
180596	2016-03-30	cif/ Adding structures of 1542955, 1542956 via cif-deposit CGI script.	1542956.cif