Crystallography Open Database

Information card for entry 1529296

Preview

Coordinates	1529296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.5 H51 Cl4 Cr N4 O4
Calculated formula	C38.5 H48 Cl4 Cr N4 O4
Title of publication	Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates
Authors of publication	Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M.
Journal of publication	Polym. Chem.
Year of publication	2015
Journal volume	6
Journal issue	35
Pages of publication	6305
a	8.751 ± 0.004 Å
b	11.96 ± 0.005 Å
c	20.098 ± 0.009 Å
α	95.039 ± 0.007°
β	97.965 ± 0.009°
γ	92.325 ± 0.003°
Cell volume	2072.2 ± 1.6 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1529296.cif
155248	2015-09-08	cif/ Updating files of 1529295, 1529296, 1529297 Original log message: Adding full bibliography for 1529295--1529297.cif.	1529296.cif
152579	2015-07-28	cif/ Adding structures of 1529295, 1529296, 1529297 via cif-deposit CGI script.	1529296.cif