Crystallography Open Database

Information card for entry 7001512

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Coordinates	7001512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H72 Cl8 Fe2 N2 O7 S2
Calculated formula	C52 H72 Cl8 Fe2 N2 O7 S2
Title of publication	A convenient ligand exchange pathway to [2Fe‒2S] ferredoxin analogues
Authors of publication	Ballmann, Joachim; Sun, Xianru; Dechert, Sebastian; Schneider, Benjamin; Meyer, Franc
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	25
Pages of publication	4908 - 4917
a	9.1684 ± 0.0005 Å
b	16.8066 ± 0.0008 Å
c	20.4441 ± 0.001 Å
α	79.572 ± 0.004°
β	81.551 ± 0.004°
γ	77.079 ± 0.004°
Cell volume	3001.1 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0486
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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