Crystallography Open Database

Information card for entry 7209152

7209151 << 7209152 >> 7209153

Preview

Coordinates	7209152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H77 Cd2 N9 O16 S2
Calculated formula	C97 H77 Cd2 N9 O16 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	18.4538 ± 0.0013 Å
b	25.3442 ± 0.0017 Å
c	37.783 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	17671 ± 2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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