Crystallography Open Database

Information card for entry 7716761

Preview

Coordinates	7716761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H48 Fe N6 O8
Calculated formula	C50 H36 Fe N6 O2
Title of publication	Substituent effects on spin-crossover Fe(II)N<sub>4</sub>O<sub>2</sub> pyrenylhydrazone complexes.
Authors of publication	Wang, Xuan; Zhang, Nan; Kou, Hui-Zhong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	40
Pages of publication	16592 - 16597
a	15.7568 ± 0.0008 Å
b	15.7568 ± 0.0008 Å
c	38.012 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9437.5 ± 0.8 Å³
Cell temperature	220 ± 0.1 K
Ambient diffraction temperature	220 ± 0.1 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1516
Residual factor for significantly intense reflections	0.0969
Weighted residual factors for significantly intense reflections	0.2603
Weighted residual factors for all reflections included in the refinement	0.3004
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
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
296586 (current)	2024-12-06	cif/ Updating files of 7716761, 7716762, 7716763, 7716764, 7716765, 7716766 Original log message: Adding full bibliography for 7716761--7716766.cif.	7716761.cif
293577	2024-07-28	cif/ Adding structures of 7716761, 7716762, 7716763, 7716764, 7716765, 7716766 via cif-deposit CGI script.	7716761.cif