Crystallography Open Database

Information card for entry 1571092

Preview

Coordinates	1571092.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	HIAM-4040-OH-EtOH
Formula	C33 H20 N2 O27 Zr6
Calculated formula	C33 H20 N2 O27 Zr6
Title of publication	Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.
Authors of publication	Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	9
Pages of publication	3174 - 3181
a	25.437 ± 0.002 Å
b	28.85 ± 0.002 Å
c	12.9217 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	9482.7 ± 1.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.1433
Residual factor for significantly intense reflections	0.103
Weighted residual factors for significantly intense reflections	0.2936
Weighted residual factors for all reflections included in the refinement	0.3269
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
290044 (current)	2024-03-04	cif/ Adding structures of 1571091, 1571092, 1571093, 1571094, 1571095, 1571096, 1571097 via cif-deposit CGI script.	1571092.cif