Crystallography Open Database

Information card for entry 7027221

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Coordinates	7027221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H77 Fe4 Mo N4 S10
Calculated formula	C47 H59 Fe4 Mo N4 S10
Title of publication	Exo-iron centres linked to MoFeS clusters
Authors of publication	Barrière, Frédéric; Evans, David J.; Hughes, David L.; Ibrahim, Saad K.; Talarmin, Jean; Pickett, Christopher J.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	6
Pages of publication	957
a	12.5572 ± 0.0013 Å
b	13.7113 ± 0.0013 Å
c	19.494 ± 0.002 Å
α	99.835 ± 0.008°
β	87.427 ± 0.008°
γ	107.024 ± 0.008°
Cell volume	3162.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for all reflections	0.1179
Weighted residual factors for significantly intense reflections	0.1013
Goodness-of-fit parameter for all reflections	1.072
Goodness-of-fit parameter for significantly intense reflections	1.107
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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