Crystallography Open Database

Information card for entry 4318820

Preview

Coordinates	4318820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H72 B4 Co2 F16 N12
Calculated formula	C81 H72 B4 Co2 F16 N12
Title of publication	Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing
Authors of publication	Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5978 - 5985
a	10.6126 ± 0.001 Å
b	10.6126 ± 0.001 Å
c	40.831 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	3982.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.1477
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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