Crystallography Open Database

Information card for entry 4504051

Preview

Coordinates	4504051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H188 In6 N6 O88
Calculated formula	C72 H24 In6 O54
Title of publication	A Highly Symmetric Porous Framework with Multi-intersecting Open Channels
Authors of publication	Lin, Zheng-Zhong; Jiang, Fei-Long; Chen, Lian; Yue, Cheng-Yang; Yuan, Da-Qiang; Lan, An-Jian; Hong, Mao-Chun
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	9
Pages of publication	1712
a	20.3732 ± 0.0008 Å
b	20.3732 ± 0.0008 Å
c	20.3732 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	8456.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1477
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179575 (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 4/50/40.	4504051.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504051.cif
44900	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504051 via cif-deposit CGI script.	4504051.cif