Crystallography Open Database

Information card for entry 1566978

Preview

Coordinates	1566978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H92 Cr Mg2 N4 O6
Calculated formula	C71 H92 Cr Mg2 N4 O6
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	35.2188 ± 0.0004 Å
b	15.3914 ± 0.00016 Å
c	12.77462 ± 0.00011 Å
α	90°
β	90°
γ	90°
Cell volume	6924.7 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1566978.cif
275460	2022-05-17	cif/ Adding structures of 1566978, 1566979, 1566980, 1566981, 1566982, 1566983, 1566984, 1566985, 1566986 via cif-deposit CGI script.	1566978.cif