Crystallography Open Database

Information card for entry 1520528

1520527 << 1520528 >> 1520529

Preview

Coordinates	1520528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H10 Co N O4
Calculated formula	C17 H10 Co N O4
Title of publication	Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework
Authors of publication	Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	8
Pages of publication	4986
a	7.6397 ± 0.0012 Å
b	10.4311 ± 0.0017 Å
c	10.9968 ± 0.0018 Å
α	71.121 ± 0.012°
β	87.061 ± 0.012°
γ	83.361 ± 0.012°
Cell volume	823.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1276
Residual factor for significantly intense reflections	0.0958
Weighted residual factors for significantly intense reflections	0.2632
Weighted residual factors for all reflections included in the refinement	0.2806
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
153089 (current)	2015-08-08	cif/ Updating files of 1520525, 1520526, 1520527, 1520528, 1520529, 1520530 Original log message: Adding full bibliography for 1520525--1520530.cif.	1520528.cif
139117	2015-06-12	cif/ Adding structures of 1520525, 1520526, 1520527, 1520528, 1520529, 1520530 via cif-deposit CGI script.	1520528.cif