Crystallography Open Database

Information card for entry 7712124

Preview

Coordinates	7712124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H38 Cu2 I2 N10 O8
Calculated formula	C60 H38 Cu2 I2 N10 O8
Title of publication	Luminescent MOFs constructed by using butterfly-like AIE ligands.
Authors of publication	Dong, Pan-Pan; Liu, Yuan-Yuan; Peng, Qiu-Chen; Li, Hai-Yang; Li, Kai; Zang, Shuang-Quan; Tang, Ben Zhong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	7
Pages of publication	1913 - 1918
a	10.4836 ± 0.0004 Å
b	13.4881 ± 0.0004 Å
c	19.6808 ± 0.0005 Å
α	90°
β	97.791 ± 0.003°
γ	90°
Cell volume	2757.25 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0899
Weighted residual factors for significantly intense reflections	0.205
Weighted residual factors for all reflections included in the refinement	0.2122
Goodness-of-fit parameter for all reflections included in the refinement	1.199
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283316 (current)	2023-05-05	cif/ Updating files of 7712121, 7712122, 7712123, 7712124, 7712125 Original log message: Adding full bibliography for 7712121--7712125.cif.	7712124.cif
280346	2023-01-16	cif/ Adding structures of 7712121, 7712122, 7712123, 7712124, 7712125 via cif-deposit CGI script.	7712124.cif