Crystallography Open Database

Information card for entry 7130555

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Coordinates	7130555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H30 Br Mn N6 O3
Calculated formula	C33 H30 Br Mn N6 O3
Title of publication	Photoactive carbon monoxide-releasing coordination polymer particles
Authors of publication	Carné-Sánchez, Arnau; Ikemura, Shuya; Sakaguchi, Reiko; Craig, Gavin A.; Furukawa, Shuhei
Journal of publication	Chemical Communications
Year of publication	2022
a	32.0896 ± 0.0006 Å
b	9.7834 ± 0.0002 Å
c	20.0973 ± 0.0003 Å
α	90°
β	96.478 ± 0.002°
γ	90°
Cell volume	6269.2 ± 0.2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1341
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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