Crystallography Open Database

Information card for entry 4507431

Preview

Coordinates	4507431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H144 Cu4 N28 O12
Calculated formula	C192 H144 Cu4 N28 O12
Title of publication	Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity
Authors of publication	He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong
Journal of publication	ACS Catalysis
Year of publication	2013
Journal volume	3
Journal issue	1
Pages of publication	1
a	26.531 ± 0.0004 Å
b	29.2825 ± 0.001 Å
c	21.2848 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	16536 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.1248
Residual factor for significantly intense reflections	0.1044
Weighted residual factors for significantly intense reflections	0.2103
Weighted residual factors for all reflections included in the refinement	0.2221
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179610 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/74.	4507431.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507431.cif
73973	2013-02-21	cif/ Adding structures of 4507431, 4507432 via cif-deposit CGI script.	4507431.cif