Crystallography Open Database

Information card for entry 1566985

Preview

Coordinates	1566985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H100 Fe Mg2 N4 O5
Calculated formula	C77 H100 Fe Mg2 N4 O5
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	13.3957 ± 0.001 Å
b	13.4353 ± 0.0008 Å
c	22.6744 ± 0.0008 Å
α	99.136 ± 0.004°
β	97.078 ± 0.004°
γ	112.627 ± 0.006°
Cell volume	3642.1 ± 0.4 Å³
Cell temperature	173 ± 0.14 K
Ambient diffraction temperature	173 ± 0.14 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	0.127
Residual factor for significantly intense reflections	0.098
Weighted residual factors for significantly intense reflections	0.3006
Weighted residual factors for all reflections included in the refinement	0.3168
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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.	1566985.cif
275460	2022-05-17	cif/ Adding structures of 1566978, 1566979, 1566980, 1566981, 1566982, 1566983, 1566984, 1566985, 1566986 via cif-deposit CGI script.	1566985.cif