Crystallography Open Database

Information card for entry 7048480

Preview

Coordinates	7048480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H66 B3 F12 Fe2 N12 O4 S
Calculated formula	C49 H66 B3 F12 Fe2 N12 O4 S
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	13.584 ± 0.004 Å
b	14.829 ± 0.004 Å
c	19.058 ± 0.005 Å
α	67.164 ± 0.009°
β	72.81 ± 0.009°
γ	76.576 ± 0.009°
Cell volume	3349.8 ± 1.6 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	0.1189
Residual factor for significantly intense reflections	0.0913
Weighted residual factors for significantly intense reflections	0.2535
Weighted residual factors for all reflections included in the refinement	0.2793
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	7048480.cif
212946	2019-01-11	cif/ Adding structures of 7048480, 7048481, 7048482, 7048483 via cif-deposit CGI script.	7048480.cif