Crystallography Open Database

Information card for entry 7209153

7209152 << 7209153 >> 7209154

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Coordinates	7209153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H71 Cd2 N9 O13 S2
Calculated formula	C97 H71 Cd2 N9 O13 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	15.923 ± 0.004 Å
b	18.233 ± 0.004 Å
c	19.264 ± 0.007 Å
α	98.129 ± 0.005°
β	106.949 ± 0.005°
γ	115.195 ± 0.004°
Cell volume	4608 ± 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	0.0703
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1502
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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