Crystallography Open Database

Information card for entry 7217077

Preview

Coordinates	7217077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Ba2 N O22 Zn0
Calculated formula	C36 H28 Ba2 N O22
Title of publication	Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters
Authors of publication	Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	34
Pages of publication	8047
a	10.2726 ± 0.0004 Å
b	13.3346 ± 0.0005 Å
c	15.2745 ± 0.0006 Å
α	100.554 ± 0.004°
β	107.524 ± 0.004°
γ	99.341 ± 0.003°
Cell volume	1907.96 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
180501 (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 7/21/70.	7217077.cif
121610	2014-08-08	cif/ Updating files of 7217074, 7217075, 7217076, 7217077, 7217078 Original log message: Adding full bibliography for 7217074--7217078.cif.	7217077.cif
119806	2014-07-09	cif/ Adding structures of 7217074, 7217075, 7217076, 7217077, 7217078 via cif-deposit CGI script.	7217077.cif