Crystallography Open Database

Information card for entry 1566983

Preview

Coordinates	1566983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H120 Ir Mg2 N4 O2
Calculated formula	C79 H120 Ir Mg2 N4 O2
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	14.0273 ± 0.0006 Å
b	13.9062 ± 0.0006 Å
c	40.2048 ± 0.0014 Å
α	90°
β	99.779 ± 0.004°
γ	90°
Cell volume	7728.7 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1545
Residual factor for significantly intense reflections	0.1271
Weighted residual factors for significantly intense reflections	0.3227
Weighted residual factors for all reflections included in the refinement	0.331
Goodness-of-fit parameter for all reflections included in the refinement	1.266
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.	1566983.cif
275460	2022-05-17	cif/ Adding structures of 1566978, 1566979, 1566980, 1566981, 1566982, 1566983, 1566984, 1566985, 1566986 via cif-deposit CGI script.	1566983.cif