Crystallography Open Database

Information card for entry 1565901

Preview

Coordinates	1565901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H40 Cd2 N9 O9
Calculated formula	C51 H40 Cd2 N9 O9
Title of publication	Friedländer, Knoevenagel, and Michael Reactions Employing the Same MOF: Synthesis, Structure, and Heterogeneous Catalytic Studies of ([Zn(1,4-NDCA)(3-BPDB)0.5]·(DMF)(MeOH) and [Cd4(1,4-NDCA)4(3-BPDB)4]·2(DMF)
Authors of publication	Sarkar, Anupam; Mistry, Subhradeep; Natarajan, Srinivasan
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2021
Journal volume	125
Journal issue	49
Pages of publication	27230 - 27240
a	14.0129 ± 0.0005 Å
b	21.0765 ± 0.0008 Å
c	15.0463 ± 0.0006 Å
α	90°
β	93.872 ± 0.002°
γ	90°
Cell volume	4433.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0612
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271782 (current)	2022-01-04	cif/ Adding structures of 1565901 via cif-deposit CGI script.	1565901.cif