Crystallography Open Database

Information card for entry 7224385

Preview

Coordinates	7224385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H68.4 Br10 Cd N9 O0.7
Calculated formula	C54 H67 Br10 Cd N9 O0.7
Title of publication	Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination
Authors of publication	Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	13
Pages of publication	2284
a	9.585 ± 0.0019 Å
b	24.232 ± 0.005 Å
c	14.047 ± 0.003 Å
α	90°
β	94.31 ± 0.03°
γ	90°
Cell volume	3253.4 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.2281
Weighted residual factors for all reflections included in the refinement	0.2343
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181588 (current)	2016-04-05	cif/ Updating files of 7224384, 7224385 Original log message: Adding full bibliography for 7224384--7224385.cif.	7224385.cif
176901	2016-02-25	cif/ Adding structures of 7224384, 7224385 via cif-deposit CGI script.	7224385.cif