Crystallography Open Database

Information card for entry 7249120

Preview

Coordinates	7249120.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	No.176
Formula	C52 H38 Cd2 N10 O12
Calculated formula	C52 H38 Cd2 N10 O12
Title of publication	Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers
Authors of publication	Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	34
Pages of publication	4708 - 4719
a	30.1876 ± 0.0008 Å
b	20.3038 ± 0.0006 Å
c	20.5795 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	12613.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.1877
Residual factor for significantly intense reflections	0.1065
Weighted residual factors for significantly intense reflections	0.2648
Weighted residual factors for all reflections included in the refinement	0.3227
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294526 (current)	2024-09-06	cif/ Updating files of 7249119, 7249120, 7249121 Original log message: Adding full bibliography for 7249119--7249121.cif.	7249120.cif
293570	2024-07-28	cif/ Adding structures of 7249119, 7249120, 7249121 via cif-deposit CGI script.	7249120.cif