Crystallography Open Database

Information card for entry 7247568

Preview

Coordinates	7247568.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	MHOF-PO4-2
Formula	C45 H63 Cu3 N6 O16 P
Calculated formula	C45 H63 Cu3 N6 O16 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	19.794 ± 0.0002 Å
b	19.794 ± 0.0002 Å
c	9.0285 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	3063.47 ± 0.06 Å³
Cell temperature	155 ± 7 K
Ambient diffraction temperature	155 ± 7 K
Number of distinct elements	6
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0203
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.0541
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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.	7247568.cif
287081	2023-10-24	cif/ Adding structures of 7247568, 7247569 via cif-deposit CGI script.	7247568.cif