Crystallography Open Database

Information card for entry 4088417

Preview

Coordinates	4088417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 B Cl2 F4 Ni3 S4
Calculated formula	C17 H24 B Cl2 F4 Ni3 S4
Title of publication	Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2
Authors of publication	Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	5
Pages of publication	836
a	13.3664 ± 0.0005 Å
b	12.7847 ± 0.0005 Å
c	14.7048 ± 0.0006 Å
α	90°
β	102.97 ± 0.0019°
γ	90°
Cell volume	2448.73 ± 0.17 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103.51 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
237551 (current)	2019-11-24	cif/ Adding structures of 4088407, 4088408, 4088409, 4088410, 4088411, 4088412, 4088413, 4088414, 4088415, 4088416, 4088417, 4088418 via cif-deposit CGI script.	4088417.cif