Crystallography Open Database

Information card for entry 4337476

Preview

Coordinates	4337476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C414 H514 Cl0 Co40 N2 O124 P16 S40
Calculated formula	C400 H391 Co40 O114 P16 S40
Title of publication	Open pentameric calixarene nanocage.
Authors of publication	Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Wu, Mingyan; Gai, Yanli; Pan, Jie; Yuan, Daqiang; Hong, Maochun
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	18 - 20
a	26.2994 ± 0.0003 Å
b	33.3014 ± 0.0005 Å
c	37.9859 ± 0.0003 Å
α	79.778 ± 0.001°
β	85.964 ± 0.001°
γ	66.865 ± 0.001°
Cell volume	30107.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1265
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.2757
Weighted residual factors for all reflections included in the refinement	0.3078
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179477 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/74.	4337476.cif
106400	2014-03-15	cif/ Adding structures of 4337476 via cif-deposit CGI script.	4337476.cif