Crystallography Open Database

Information card for entry 7131424

Preview

Coordinates	7131424.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu-ZIF-sql
Chemical name	di-(2-formylimidazolate)copper(II)
Formula	C8 H6 Cu N4 O2
Calculated formula	C8 H6 Cu N4 O2
Title of publication	Porous zeolitic imidazolate frameworks assembled with highly-flattened tetrahedral copper(II) centres and 2-nitroimidazolates.
Authors of publication	Jung, Cheolwon; Choi, Sang Beom; Park, Jaewoo; Jung, Minji; Kim, Jonghoon; Oh, Hyunchul; Kim, Jaheon
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	27
Pages of publication	4040 - 4043
a	7.915 ± 0.0016 Å
b	13.333 ± 0.003 Å
c	8.8132 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	930.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0823
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.2348
Weighted residual factors for all reflections included in the refinement	0.2484
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282270 (current)	2023-04-04	cif/ Updating files of 7131424, 7131425, 7131426, 7131427, 7131428 Original log message: Adding full bibliography for 7131424--7131428.cif.	7131424.cif
281917	2023-03-17	cif/ Adding structures of 7131424, 7131425, 7131426, 7131427, 7131428 via cif-deposit CGI script.	7131424.cif