Crystallography Open Database

Information card for entry 4315074

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Structure parameters

Formula	C44 H48 Fe2 N6 O5 P S2
Calculated formula	C44 H48 Fe2 N6 O5 P S2
Title of publication	Dinuclear [{Fe(NO)2}10-{Fe(NO)2}10] Dinitrosyl Iron Complex with Thiolate-CO-Bridged Ligands
Authors of publication	Chien-Hong Chen; Show-Jen Chiou; Hsuan-Yin Chen
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2023 - 2025
a	9.8504 ± 0.0002 Å
b	10.3598 ± 0.0002 Å
c	22.6607 ± 0.0005 Å
α	92.412 ± 0.001°
β	90.699 ± 0.001°
γ	93.672 ± 0.001°
Cell volume	2305.43 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1143
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1717
Weighted residual factors for all reflections included in the refinement	0.2111
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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