Crystallography Open Database

Information card for entry 7216431

Preview

Coordinates	7216431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 Cd N5 O9.5
Calculated formula	C18 H10 Cd N5 O9.52
Title of publication	Two 3D metal‒organic frameworks of Cd(ii): modulation of structures and porous properties based on linker functionalities
Authors of publication	Haldar, Ritesh; Bonakala, Satyanarayana; Kanoo, Prakash; Balasubramanian, Sundaram; Maji, Tapas Kumar
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	22
Pages of publication	4877
a	6.7119 ± 0.0007 Å
b	24.876 ± 0.003 Å
c	14.0647 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2348.3 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	67
Hermann-Mauguin space group symbol	C m m a
Hall space group symbol	-C 2a 2
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0953
Weighted residual factors for significantly intense reflections	0.2257
Weighted residual factors for all reflections included in the refinement	0.241
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216431.cif
116046	2014-06-06	cif/ Adding structures of 7216430, 7216431 via cif-deposit CGI script.	7216431.cif