Crystallography Open Database

Information card for entry 4114006

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Coordinates	4114006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H39 B3 F12 N6 Rh2 S6
Calculated formula	C12 H36 B3 F12 N6 Rh2 S6
Title of publication	The First Triple Thiol-thiolate Hydrogen Bond versus Triple Diselenide Bond That Bridges Two Metal Centers
Authors of publication	Takumi Konno; Kazuyuki Haneishi; Masakazu Hirotsu; Tadashi Yamaguchi; Tasuku Ito; Takashi Yoshimura
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	9244 - 9245
a	31.205 ± 0.005 Å
b	12.278 ± 0.004 Å
c	22.182 ± 0.004 Å
α	90°
β	130.113 ± 0.008°
γ	90°
Cell volume	6500 ± 3 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293.2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0924
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for all reflections	0.1825
Goodness-of-fit parameter for all reflections	1.183
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoK?a
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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