Crystallography Open Database

Information card for entry 7209151

7209150 << 7209151 >> 7209152

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Coordinates	7209151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H40 Cd2 N4 O12 S2
Calculated formula	C61 H40 Cd2 N4 O12 S2
Title of publication	Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction
Authors of publication	Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	2
Pages of publication	227
a	12.5309 ± 0.0006 Å
b	12.9417 ± 0.0006 Å
c	18.394 ± 0.0009 Å
α	94.407 ± 0.001°
β	93.591 ± 0.001°
γ	95.061 ± 0.001°
Cell volume	2955.3 ± 0.2 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	0.0421
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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