Crystallography Open Database

Information card for entry 7057332

Preview

Coordinates	7057332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H42 Ho N9 O6
Calculated formula	C66 H42 Ho N9 O6
Title of publication	Postsynthetic modification of single Pd sites into uncoordinated polypyridine groups of a MOF as the highly efficient catalyst for Heck and Suzuki reactions
Authors of publication	Dong, Dapeng; Li, Zhenghua; Liu, Dedi; Yu, Naisen; Zhao, Haiyan; Chen, Huiying; Liu, Jia; Liu, Dongping
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	9317
a	33.823 ± 0.002 Å
b	13.7794 ± 0.001 Å
c	12.245 ± 0.0009 Å
α	90°
β	109.097 ± 0.0009°
γ	90°
Cell volume	5392.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
230522 (current)	2019-11-17	cif/ Updating files of 7057332 Original log message: Adding full bibliography for 7057332.cif.	7057332.cif
207455	2018-04-24	cif/ Adding structures of 7057332 via cif-deposit CGI script.	7057332.cif