Crystallography Open Database

Information card for entry 7048276

Preview

Coordinates	7048276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 Cl2 Fe N10 O9
Calculated formula	C39 H32 Cl2 Fe N10 O9
Title of publication	Slow spin crossover in bis-meridional Fe<sup>2+</sup> complexes through spin-state auto-adaptive N6/N8 coordination.
Authors of publication	Petzold, Holm; Hörner, Gerald; Schnaubelt, Linda; Rüffer, Tobias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	48
Pages of publication	17257 - 17265
a	12.8712 ± 0.0008 Å
b	23.363 ± 0.003 Å
c	12.9312 ± 0.001 Å
α	90°
β	90.118 ± 0.007°
γ	90°
Cell volume	3888.5 ± 0.6 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229712 (current)	2019-11-17	cif/ Updating files of 7048274, 7048275, 7048276 Original log message: Adding full bibliography for 7048274--7048276.cif.	7048276.cif
212248	2018-11-30	cif/ Adding structures of 7048274, 7048275, 7048276 via cif-deposit CGI script.	7048276.cif