Crystallography Open Database

Information card for entry 4502444

Preview

Coordinates	4502444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H80 Cd2 N6 O13
Calculated formula	C63 H80 Cd2 N6 O13
Title of publication	An Unusual Independent 1D Metal−Organic Nanotube with Mesohelical Structure and 1D →2D Interdigitation
Authors of publication	Jin, Jun-Cheng; Wang, Yao-Yu; Liu, Ping; Liu, Rui-Ting; Ren, Chen; Shi, Qi-Zhen
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	5
Pages of publication	2029
a	12.935 ± 0.006 Å
b	13.469 ± 0.006 Å
c	20.226 ± 0.009 Å
α	81.551 ± 0.008°
β	74.579 ± 0.008°
γ	67.685 ± 0.008°
Cell volume	3138 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1298
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	0.89
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
179555 (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 4/50/24.	4502444.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502444.cif
36419	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502444 via cif-deposit CGI script.	4502444.cif