Crystallography Open Database

Information card for entry 7247777

Preview

Coordinates	7247777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.83 H29.33 Co N4 O4.83
Calculated formula	C8 H10 Co N4
Title of publication	High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67
Authors of publication	Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	47
Pages of publication	6533 - 6538
a	16.8677 ± 0.0005 Å
b	16.8677 ± 0.0005 Å
c	16.8677 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4799.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
288793 (current)	2024-01-06	cif/ Updating files of 7247762, 7247763, 7247764, 7247765, 7247766, 7247767, 7247768, 7247769, 7247770, 7247771, 7247772, 7247773, 7247774, 7247775, 7247776, 7247777, 7247778, 7247779 Original log message: Adding full bibliography for 7247762--7247779.cif.	7247777.cif
287746	2023-11-23	cif/ Adding structures of 7247762, 7247763, 7247764, 7247765, 7247766, 7247767, 7247768, 7247769, 7247770, 7247771, 7247772, 7247773, 7247774, 7247775, 7247776, 7247777, 7247778, 7247779 via cif-deposit CGI script.	7247777.cif