Crystallography Open Database

Information card for entry 4343124

Preview

Coordinates	4343124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C286 H360 Cl4 Dy4 N8 Na4 Ni24 O72 S24
Calculated formula	C285.84 H299.76 Cl4.02 Dy3.98 N12 Ni24 O67.94 S24
Title of publication	Stepwise construction of extra-large heterometallic calixarene-based cages.
Authors of publication	Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Chen, Lian; Pang, Jiandong; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A; Hong, Maochun
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	7
Pages of publication	3183 - 3188
a	23.3919 ± 0.0006 Å
b	23.3919 ± 0.0006 Å
c	61.397 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	29094.4 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1296
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2288
Weighted residual factors for all reflections included in the refinement	0.2526
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4343124.cif
137915	2015-06-04	cif/ Adding structures of 4343124, 4343125, 4343126, 4343127, 4343128 via cif-deposit CGI script.	4343124.cif