Crystallography Open Database

Information card for entry 7247569

Preview

Coordinates	7247569.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	MHOF-PO4-1
Formula	C45 H69 Cu3 N6 O19 P
Calculated formula	C45 H69 Cu3 N6 O19 P
Title of publication	Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties
Authors of publication	Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	44
Pages of publication	6132 - 6136
a	37.4254 ± 0.0002 Å
b	37.4254 ± 0.0002 Å
c	37.4254 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	52420.3 ± 0.5 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	6
Space group number	210
Hermann-Mauguin space group symbol	F 41 3 2
Hall space group symbol	F 4d 2 3
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1547
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288776 (current)	2024-01-06	cif/ Updating files of 7247568, 7247569 Original log message: Adding full bibliography for 7247568--7247569.cif.	7247569.cif
287081	2023-10-24	cif/ Adding structures of 7247568, 7247569 via cif-deposit CGI script.	7247569.cif