Crystallography Open Database

Information card for entry 4112186

Preview

Coordinates	4112186.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Rh2(DAniF)2(calixarene-dicarboxy)
Formula	C73 H78 Br2 N4 O13 Rh2
Calculated formula	C73 H77 Br2 N4 O13 Rh2
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	12.0208 ± 0.0006 Å
b	13.1643 ± 0.0006 Å
c	23.138 ± 0.0011 Å
α	77.851 ± 0.001°
β	77.749 ± 0.001°
γ	80.174 ± 0.001°
Cell volume	3467.4 ± 0.3 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	0.0672
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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