Crystallography Open Database

Information card for entry 4112187

Preview

Coordinates	4112187.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mo2(DAniF)2(Calix[4]aren
Formula	C72 H74 Br2 Mo2 N4 O12
Calculated formula	C72 H74 Br2 Mo2 N4 O12
Title of publication	A Calix[4]arene Carceplex with Four Rh24+ Fasteners
Authors of publication	F. Albert Cotton; Peng Lei; Chun Lin; Carlos A. Murillo; Xiaoping Wang; Shu-Yan Yu; Zhong-Xing Zhang
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	1518 - 1525
a	12.1936 ± 0.0008 Å
b	14.4964 ± 0.001 Å
c	20.9932 ± 0.0014 Å
α	106.99 ± 0.001°
β	95.559 ± 0.001°
γ	105.863 ± 0.001°
Cell volume	3350.1 ± 0.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1178
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	Yes
Has F_obs	No

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