Crystallography Open Database

Information card for entry 7245911

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Coordinates	7245911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H7 Cl2 N5
Calculated formula	C2 H7 Cl2 N5
Title of publication	A mixed-valence copper chloride coordination polymer composed of one-dimensional cationic and anionic substructures
Authors of publication	Park, Hee Sun; Lee, Jae-Chang; Jung, Myung-Hwa; Lee, Yong-Min; Nam, Wonwoo; Hur, Nam Hwi
Journal of publication	CrystEngComm
Year of publication	2022
a	14.0559 ± 0.0003 Å
b	7.0932 ± 0.0002 Å
c	14.1687 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1412.64 ± 0.06 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0846
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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