Crystallography Open Database

Information card for entry 7045638

Preview

Coordinates	7045638.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ru-PMOF-1(Hf)
Formula	C141 H72 Hf12 N12 O55 Ru3
Calculated formula	C141 H72 Hf12 N12 O55 Ru3
Title of publication	Carbene insertion into N-H bonds with size-selectivity induced by a microporous ruthenium-porphyrin metal-organic framework.
Authors of publication	Chen, Lianfen; Cui, Hao; Wang, Yanhu; Liang, Xiang; Zhang, Li; Su, Cheng-Yong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	11
Pages of publication	3940 - 3946
a	38.4253 ± 0.0003 Å
b	38.4253 ± 0.0003 Å
c	38.4253 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	56735.1 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.1118
Residual factor for significantly intense reflections	0.089
Weighted residual factors for significantly intense reflections	0.2288
Weighted residual factors for all reflections included in the refinement	0.2399
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229994 (current)	2019-11-17	cif/ Updating files of 7045638 Original log message: Adding full bibliography for 7045638.cif.	7045638.cif
206418	2018-02-14	cif/ Adding structures of 7045638 via cif-deposit CGI script.	7045638.cif