Crystallography Open Database

Information card for entry 4318825

Preview

Coordinates	4318825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H46 B4 F16 N12 O2 Zn2
Calculated formula	C21 H22.98 B2 F8 N6 O0.99 Zn
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	22.0634 ± 0.0008 Å
b	22.0634 ± 0.0008 Å
c	22.0634 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	10740.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1913
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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