Crystallography Open Database

Information card for entry 1566980

Preview

Coordinates	1566980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H91 Mg2 Mn N4 O3
Calculated formula	C67 H91 Mg2 Mn N4 O3
Title of publication	Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.
Authors of publication	Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	22
Pages of publication	6592 - 6598
a	15.2588 ± 0.0007 Å
b	12.9668 ± 0.0005 Å
c	35.832 ± 0.003 Å
α	90°
β	97.903 ± 0.005°
γ	90°
Cell volume	7022.3 ± 0.7 Å³
Cell temperature	172.95 ± 0.1 K
Ambient diffraction temperature	172.95 ± 0.1 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	0.124
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.2192
Weighted residual factors for all reflections included in the refinement	0.2545
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
276597 (current)	2022-07-06	cif/ Updating files of 1566978, 1566979, 1566980, 1566981, 1566982, 1566983, 1566984, 1566985, 1566986 Original log message: Adding full bibliography for 1566978--1566986.cif.	1566980.cif
275460	2022-05-17	cif/ Adding structures of 1566978, 1566979, 1566980, 1566981, 1566982, 1566983, 1566984, 1566985, 1566986 via cif-deposit CGI script.	1566980.cif