Crystallography Open Database

Information card for entry 7219474

7219473 << 7219474 >> 7219475

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Coordinates	7219474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H79 N3 O66 Pb13 S24
Calculated formula	C120 H24 O57 Pb13 S24
Title of publication	Construction of a metal‒organic framework by octuple intercatenation of discrete icosahedral coordination cages
Authors of publication	Shen, Yu; Zhu, Hai-Bin; Hu, Jun; Zhao, Yue
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	10
Pages of publication	2080
a	40.11 ± 0.005 Å
b	40.11 ± 0.005 Å
c	40.11 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	64529 ± 14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	228
Hermann-Mauguin space group symbol	F d -3 c :2
Hall space group symbol	-F 4ud 2vw 3
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7219474.cif
133177	2015-03-06	cif/ Updating files of 7219474 Original log message: Adding full bibliography for 7219474.cif.	7219474.cif
130903	2015-02-04	cif/ Adding structures of 7219474 via cif-deposit CGI script.	7219474.cif