Crystallography Open Database

Information card for entry 7248647

Preview

Coordinates	7248647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H94 Hf6 O40
Calculated formula	C64 H94 Hf6 O40
SMILES	[Hf]123456([O]7[Hf]89%10%11%12([O]%13[Hf]%14%15%16([O]1[Hf]1%17%18%19%20([O]%21[Hf]7([OH]3%17)([OH]9[Hf]%13%21([OH]%141)([O]=C(O%19)C(=C)C)(OC(C(C)=C)=[O]%12)([O]=C(C(=C)C)O%15)[OH2])([O]=C(C(=C)C)O5)(OC(C(=C)C)=[O]%18)([O]=C(O%11)C(=C)C)OC(=O)C(=C)C)OC(=[O]%20)C(=C)C)([OH]28)([O]=C(O%16)C(=C)C)OC(C(=C)C)=[O]%10)[O]=C(O4)C(=C)C)[O]=C(O6)C(=C)C.O=C(O)C(=C)C.O=C(O)C(=C)C.OCCCC.O=C(O)C(C)=C
Title of publication	Rapid and high-throughput synthesis of diverse MOFs with centrifuge tube grinding strategy
Authors of publication	Wang, Hao-Cheng; Liu, Xiao; Ma, Jian-Gong; Cheng, Peng
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	12
Pages of publication	7312 - 7319
a	17.0824 ± 0.0002 Å
b	17.9419 ± 0.0002 Å
c	30.7631 ± 0.0004 Å
α	90°
β	96.314 ± 0.001°
γ	90°
Cell volume	9371.4 ± 0.2 Å³
Cell temperature	148 ± 0.3 K
Ambient diffraction temperature	148 ± 0.3 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293174 (current)	2024-07-05	cif/ Updating files of 7248647 Original log message: Adding full bibliography for 7248647.cif.	7248647.cif
291956	2024-05-19	cif/ Adding structures of 7248647 via cif-deposit CGI script.	7248647.cif