Crystallography Open Database

Information card for entry 7127327

Preview

Coordinates	7127327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 Co N6 O10 Rb0.5
Calculated formula	C42 H44 Co N6 O10 Rb0.5006
Title of publication	Preliminary chemical reduction for synthesizing a stable porous molecular conductor with neutral metal nodes.
Authors of publication	Koyama, Shohei; Tanabe, Tappei; Takaishi, Shinya; Yamashita, Masahiro; Iguchi, Hiroaki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	86
Pages of publication	13109 - 13112
a	19.8453 ± 0.0007 Å
b	19.8453 ± 0.0007 Å
c	9.5591 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	3260.3 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	181
Hermann-Mauguin space group symbol	P 64 2 2
Hall space group symbol	P 64 2 (0 0 2)
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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