Crystallography Open Database

Information card for entry 7701969

7701968 << 7701969 >> 7701970

Preview

Coordinates	7701969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H140 Cl4 Cu10 N54 O23
Calculated formula	C106 H140 Cl4 Cu10 N54 O23
Title of publication	Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity
Authors of publication	Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan
Journal of publication	Dalton Transactions
Year of publication	2019
a	22.2885 ± 0.0001 Å
b	25.786 ± 0.0001 Å
c	26.5742 ± 0.0001 Å
α	90°
β	110.795 ± 0.001°
γ	90°
Cell volume	14278.1 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1877
Weighted residual factors for all reflections included in the refinement	0.191
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7701969.html