Crystallography Open Database

Information card for entry 7216430

Preview

Coordinates	7216430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 Cd2 N4 O9
Calculated formula	C30 H27 Cd2 N4 O9
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	16.3552 ± 0.0006 Å
b	16.0035 ± 0.0006 Å
c	12.1024 ± 0.0005 Å
α	90°
β	111.399 ± 0.001°
γ	90°
Cell volume	2949.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
180495 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/64.	7216430.cif
116046	2014-06-06	cif/ Adding structures of 7216430, 7216431 via cif-deposit CGI script.	7216430.cif