Crystallography Open Database

Information card for entry 4128102

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Coordinates	4128102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H77 Co2 N4 O6
Calculated formula	C68 H77 Co2 N4 O6
Title of publication	Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.
Authors of publication	Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	17
Pages of publication	6822 - 6826
a	31.034 ± 0.002 Å
b	31.034 ± 0.002 Å
c	53.217 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	51254 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	120
Hermann-Mauguin space group symbol	I -4 c 2
Hall space group symbol	I -4 -2c
Residual factor for all reflections	0.2233
Residual factor for significantly intense reflections	0.1127
Weighted residual factors for significantly intense reflections	0.2529
Weighted residual factors for all reflections included in the refinement	0.3129
Goodness-of-fit parameter for all reflections included in the refinement	0.841
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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