Crystallography Open Database

Information card for entry 7714461

Preview

Coordinates	7714461.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	HIAM-4034
Formula	C86 H75 N9 O35 S3 Zr6
Calculated formula	C86 H75 N9 O35 S3 Zr6
Title of publication	Carboxyl Position Directed Structure Diversity in Zirconium-Tricarboxylate Frameworks
Authors of publication	Xia, Jun; Si, Jincheng; Zhou, Kang; Xia, Hai-Lun; Zhang, Jian; Xu, Yingqian; Wang, Lei; Liu, Xiao-Yuan
Journal of publication	Dalton Transactions
Year of publication	2023
a	32.5504 ± 0.0006 Å
b	32.5504 ± 0.0006 Å
c	40.8188 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	37454.5 ± 1.5 Å³
Cell temperature	193.15 K
Ambient diffraction temperature	193.15 K
Number of distinct elements	6
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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