Crystallography Open Database

Information card for entry 7048481

Preview

Coordinates	7048481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H77 B2 Cl F8 Fe2 N14 O5
Calculated formula	C55 H77 B2 Cl F8 Fe2 N14 O5
Title of publication	Transfer of hydrosulfide from thiols to iron(ii): a convenient synthetic route to nonheme diiron(ii)-hydrosulfide complexes.
Authors of publication	Pal, Nabhendu; Majumdar, Amit
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	18
Pages of publication	5903 - 5908
a	12.253 ± 0.003 Å
b	15.368 ± 0.004 Å
c	18.42 ± 0.005 Å
α	102.748 ± 0.008°
β	96.655 ± 0.007°
γ	98.924 ± 0.007°
Cell volume	3301.3 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1737
Residual factor for significantly intense reflections	0.1013
Weighted residual factors for significantly intense reflections	0.2707
Weighted residual factors for all reflections included in the refinement	0.3187
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224408 (current)	2019-11-08	cif/ Updating files of 7048480, 7048481, 7048482, 7048483 Original log message: Adding full bibliography for 7048480--7048483.cif.	7048481.cif
212946	2019-01-11	cif/ Adding structures of 7048480, 7048481, 7048482, 7048483 via cif-deposit CGI script.	7048481.cif