Crystallography Open Database

Information card for entry 2312708

Preview

Coordinates	2312708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Cu4 Mo8 N8 O26
Calculated formula	C40 H32 Cu4 Mo8 N8 O26
Title of publication	Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.
Authors of publication	Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2024
Journal volume	80
Journal issue	6
Pages of publication	782 - 792
a	10.86409 ± 0.00018 Å
b	11.244 ± 0.0002 Å
c	21.9304 ± 0.0003 Å
α	90°
β	94.1363 ± 0.0014°
γ	90°
Cell volume	2671.95 ± 0.07 Å³
Cell temperature	100 ± 0.14 K
Ambient diffraction temperature	100 ± 0.14 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.0494
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
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
296756 (current)	2024-12-07	cif/ Updating files of 2312705, 2312706, 2312707, 2312708 Original log message: Adding full bibliography for 2312705--2312708.cif.	2312708.cif
296195	2024-12-03	cif/ hkl/ Adding structures of 2312705, 2312706, 2312707, 2312708 via cif-deposit CGI script.	2312708.cif