Crystallography Open Database

Information card for entry 1571095

Preview

Coordinates	1571095.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	HIAM-4040-OH-pH2
Formula	C33 H16 N2 O33 Zr6
Calculated formula	C33 H16 N2 O33 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	28.822 ± 0.003 Å
b	25.209 ± 0.002 Å
c	13.8069 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	10031.7 ± 1.6 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1387
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	1571095.cif