Crystallography Open Database

Information card for entry 7217813

Preview

Coordinates	7217813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Br Cd N2 O5
Calculated formula	C14 H14 Br Cd N2 O5
Title of publication	Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands
Authors of publication	Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	40
Pages of publication	9560
a	8.3536 ± 0.0009 Å
b	10.0782 ± 0.001 Å
c	11.2967 ± 0.0012 Å
α	74.969 ± 0.002°
β	74.612 ± 0.002°
γ	68.425 ± 0.001°
Cell volume	838.73 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	0.878
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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