Crystallography Open Database

Information card for entry 7048274

Preview

Coordinates	7048274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 Cl2 Fe N8 O8
Calculated formula	C38 H28 Cl2 Fe N8 O8
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	12.1738 ± 0.0004 Å
b	20.5576 ± 0.0006 Å
c	15.1309 ± 0.0005 Å
α	90°
β	113.173 ± 0.004°
γ	90°
Cell volume	3481.2 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
229712 (current)	2019-11-17	cif/ Updating files of 7048274, 7048275, 7048276 Original log message: Adding full bibliography for 7048274--7048276.cif.	7048274.cif
212248	2018-11-30	cif/ Adding structures of 7048274, 7048275, 7048276 via cif-deposit CGI script.	7048274.cif