Crystallography Open Database

Information card for entry 7134009

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Coordinates	7134009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H100 Fe6 O38
Calculated formula	C192 H100 Fe6 O38
Title of publication	Porous MOFs with geometric mismatch between trimers and octatopic pyrene-based ligands for low-temperature methane storage.
Authors of publication	Wang, Kun; Cao, Honghao; Zhong, Yuanlong; Yang, Zhenning; Shi, Hancheng; Xiong, Zhangyi; Mu, Yuqiao; Chen, Zhijie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	100
Pages of publication	15055 - 15058
a	27.88 ± 0.009 Å
b	19.22 ± 0.007 Å
c	40.725 ± 0.015 Å
α	90°
β	94.444 ± 0.01°
γ	90°
Cell volume	21757 ± 13 Å³
Cell temperature	273 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.68883 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297082 (current)	2025-01-06	cif/ Updating files of 7134009, 7134010 Original log message: Adding full bibliography for 7134009--7134010.cif.	7134009.cif
296095	2024-11-26	cif/ Adding structures of 7134009, 7134010 via cif-deposit CGI script.	7134009.cif