Crystallography Open Database

Information card for entry 1559855

Preview

Coordinates	1559855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H50 B2 Fe N10 O
Calculated formula	C45 H50 B2 Fe N10 O
Title of publication	Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.
Authors of publication	Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.
Journal of publication	Chemical science
Year of publication	2020
Journal volume	12
Journal issue	6
Pages of publication	2231 - 2241
a	18.7182 ± 0.0007 Å
b	24.1607 ± 0.0011 Å
c	23.662 ± 0.0009 Å
α	90°
β	98.957 ± 0.003°
γ	90°
Cell volume	10570.5 ± 0.7 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.1953
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267085 (current)	2021-07-05	cif/ Updating files of 1559850, 1559851, 1559852, 1559853, 1559854, 1559855 Original log message: Adding full bibliography for 1559850--1559855.cif.	1559855.cif
262542	2021-03-05	cif/ Updating files of 1559850, 1559851, 1559852, 1559853, 1559854, 1559855 Original log message: Adding full bibliography for 1559850--1559855.cif.	1559855.cif
260121	2020-12-24	cif/ Adding structures of 1559850, 1559851, 1559852, 1559853, 1559854, 1559855 via cif-deposit CGI script.	1559855.cif