Crystallography Open Database

Information card for entry 4004035

Preview

Coordinates	4004035.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	JUK-20-chx
Formula	C35 H28 Cd N8 O5
Calculated formula	C35 H28 Cd N8 O5
Title of publication	Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction
Authors of publication	Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	18
Pages of publication	7509 - 7517
a	20.488 ± 0.0004 Å
b	15.7873 ± 0.0002 Å
c	16.812 ± 0.0004 Å
α	90°
β	95.489 ± 0.002°
γ	90°
Cell volume	5412.91 ± 0.18 Å³
Cell temperature	121 ± 2 K
Ambient diffraction temperature	121 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1463
Residual factor for significantly intense reflections	0.1067
Weighted residual factors for significantly intense reflections	0.2639
Weighted residual factors for all reflections included in the refinement	0.2979
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269513 (current)	2021-10-04	cif/ Adding structures of 4004035 via cif-deposit CGI script.	4004035.cif