Crystallography Open Database

Information card for entry 7105154

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Coordinates	7105154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H156 Cu2 N8 O30
Calculated formula	C164 H156 Cu2 N8 O30
Title of publication	A metal-organic framework replete with ordered donor-acceptor catenanes.
Authors of publication	Li, Qiaowei; Zhang, Wenyu; Miljanić, Ognjen S; Knobler, Carolyn B; Stoddart, J Fraser; Yaghi, Omar M
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	3
Pages of publication	380 - 382
a	38.5784 ± 0.001 Å
b	13.584 ± 0.0004 Å
c	32.0739 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	16808.3 ± 0.8 Å³
Cell temperature	258 ± 2 K
Ambient diffraction temperature	258 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.3152
Residual factor for significantly intense reflections	0.2901
Weighted residual factors for significantly intense reflections	0.5911
Weighted residual factors for all reflections included in the refinement	0.6108
Goodness-of-fit parameter for all reflections included in the refinement	2.544
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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