Crystallography Open Database

Information card for entry 2021688

2021687 << 2021688 >> 2021689

Preview

Coordinates	2021688.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[(μ~5~-benzene-1,3,5-tricarboxylato-κ^6^O^1^:O^1^':O^3^:O^3^:O^5^,O^5^'){μ~3~-1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene-κ^3^<i>N</i>:<i>N</i>':<i>N</i>''}di-μ~3~-hydroxido-dicobalt(II)]
Formula	C21 H16 Co2 N6 O7
Calculated formula	C21 H16 Co2 N6 O7
Title of publication	Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene and benzene-1,3,5-tricarboxylate ligands
Authors of publication	Zhang, Ya-Qian; Blatov, Vladislav A.; Lv, Xiu-Xiu; Tang, Ding-Yi; Qian, Lin-Lu; Li, Ke; Li, Bao-Long
Journal of publication	Acta Crystallographica Section C
Year of publication	2019
Journal volume	75
Journal issue	7
a	11.06 ± 0.0006 Å
b	17.1537 ± 0.0009 Å
c	11.7342 ± 0.0005 Å
α	90°
β	95.499 ± 0.004°
γ	90°
Cell volume	2215.97 ± 0.19 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
216595 (current)	2019-06-27	cif/ hkl/ Adding structures of 2021688, 2021689 via cif-deposit CGI script.	2021688.cif